1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one

C19H25F3O2 — CID 58942432

IUPAC1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one
SMILESCCCC1CCC(c2ccc(C(=O)CC)c(O)c2C(F)(F)F)CC1
InChIInChI=1S/C19H25F3O2/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(16(23)4-2)18(24)17(14)19(20,21)22/h10-13,24H,3-9H2,1-2H3
InChIKeyWQQYGQCAFHBWSA-UHFFFAOYSA-N
MW342.40 g/mol
LogP6.08
Rot. Bonds5

About 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one

1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 58942432) has the molecular formula C19H25F3O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID58942432
Molecular FormulaC19H25F3O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one
SMILESCCCC1CCC(c2ccc(C(=O)CC)c(O)c2C(F)(F)F)CC1
InChIInChI=1S/C19H25F3O2/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(16(23)4-2)18(24)17(14)19(20,21)22/h10-13,24H,3-9H2,1-2H3
InChIKeyWQQYGQCAFHBWSA-UHFFFAOYSA-N
XLogP6.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-hydroxy-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]propan-1-one
CID 58942520
1-[3-fluoro-4-(4-methylcyclohexyl)-2-(trifluoromethyl)phenyl]propan-1-one
CID 131991209
1-[2-(difluoromethyl)-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118287285
1-[3-fluoro-4-[2-(4-propylcyclohexyl)ethynyl]-2-(trifluoromethyl)phenyl]propan-1-one
CID 118287037
1-[3-fluoro-2-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118283767
1-[2-hydroxy-4-[4-(4-pentan-2-ylcyclohexyl)phenyl]-3-(trifluoromethyl)phenyl]propan-1-one
CID 162552470
[2-fluoro-4-propanoyl-3-(trifluoromethyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 118287048
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
1-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331721
1-[3-(difluoromethyl)-2-hydroxy-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]butan-1-one
CID 58942534
1-(4-pentylcyclohexyl)-4-propyl-2,3-bis(trifluoromethyl)benzene
CID 20750880
(3,4,5-trifluorophenyl) 2,3-difluoro-4-(4-propylcyclohexyl)benzoate
CID 118858603

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one (CID 58942432) is 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one is CCCC1CCC(c2ccc(C(=O)CC)c(O)c2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is WQQYGQCAFHBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3O2/c1-3-5-12-6-8-13(9-7-12)14-10-11-15(16(23)4-2)18(24)17(14)19(20,21)22/h10-13,24H,3-9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one?
1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(4-propylcyclohexyl)-3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 58942432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).